N-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

• ChemBase ID: 430460
• Molecular Formular: C17H19F2N3
• Molecular Mass: 303.3496664
• Monoisotopic Mass: 303.15470406
• SMILES: n1(c2c(cn1)C(NCC1CC1)CCC2)c1cc(cc(c1)F)F
• Canonical SMILES: Fc1cc(F)cc(c1)n1ncc2c1CCCC2NCC1CC1
• InChI: InChI=1S/C17H19F2N3/c18-12-6-13(19)8-14(7-12)22-17-3-1-2-16(15(17)10-21-22)20-9-11-4-5-11/h6-8,10-11,16,20H,1-5,9H2
• InChIKey: BCVLFDRRPFMNSD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
• IUPAC Traditional name: N-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-amine
• Synonyms: N-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.25506386
• LogD (pH = 7.4): 1.3035343
• Log P: 3.436281
• Molar Refractivity: 82.2558 cm^3
• Polarizability: 31.443892 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.83
• LOG S: -4.41
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 4